Chemistry:QuantumMechanicsand
SpectroscopyI
J.E.Parker
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J.E. Parker
Chemistry: Quantum Mechanics
and Spectroscopy
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Chemistry: Quantum Mechanics and Spectroscopy
1st edition
© 2015 J.E. Parker & bookboon.com
ISBN 978-87-403-1182-2
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Chemistry: Quantum Mechanics
and Spectroscopy
Contents
Contents
Acknowledgements
7
1
Quantum Mechanics
8
1.1
he Failures of Classical Mechanics
9
1.2
Wave-Particle Duality of Light
16
1.3
he Bohr Model for the Hydrogen Atom
18
1.4
he Wave-Particle Duality of Matter, the de Broglie Equation
20
1.5
Heisenberg’s Uncertainty Principles
22
1.6
Physical Meaning of the Wavefunction of a Particle
24
1.7
Schrödinger’s Wave Equation
26
1.8
Comparison of Matter and Light
43
1.9
Spectroscopy and Speciic Selection Rules
44
2
Pure Rotational Spectroscopy
47
2.1
Rigid Rotor Model for a Diatomic Molecule
48
2.2
Speciic Selection Rule for Pure Rotational Spectroscopy
54
2.3
Gross Section Rule for Pure Rotational Spectroscopy
57
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Chemistry: Quantum Mechanics
and Spectroscopy
Contents
2.4
Rotational Motion of Polyatomic Molecules
58
2.5
Intensities of Rotational Lines
59
3
Pure Vibrational Spectroscopy
62
3.1
Simple Harmonic Oscillator (SHO) Model for a Vibrating Bond
63
3.2
Anharmonic Model for a Vibrating Molecule
68
3.3
Hot Band Transitions
71
3.4
Vibrational Spectra of Polyatomic Molecules
73
4
Vibration-Rotation Spectroscopy
78
4.1
Selection Rules for Vibration-Rotation Transitions
79
4.2
Rotations and Nuclear Statistics
83
5
Raman Spectroscopy
89
5.1
Rotational Raman Scattering
93
5.2
Vibrational Raman Scattering
95
5.3
Advantages and Applications of Raman Scattering
96
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